Geometry & MOs

Info

ID:	10473
PubChem CID:	102602
Reduced:	FeOC14H16 (1)
Stoich.:	ABC14D16 (1)
Weight, g/mol:	256.055051
ΔH_f, kcal/mol:	-0.3
Dipole, Da:	1.73
IP(EA), eV:	-8.83(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclopenta-1,3-diene;1-(2-ethylcyclopenta-1,3-dien-1-yl)ethanone;iron(2+)

Drug info:

PubChemData

Smile

CCC1=C([CH-]C=C1)C(=O)C.[CH-]1C=CC=C1.[Fe+2]

DOS

IR

Vibrations